1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol

C15H27F3O2 — CID 123182639

IUPAC1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol
SMILESCCC1(OC(O)C(C(F)(F)F)C(C)(C)CC)CCCC1
InChIInChI=1S/C15H27F3O2/c1-5-13(3,4)11(15(16,17)18)12(19)20-14(6-2)9-7-8-10-14/h11-12,19H,5-10H2,1-4H3
InChIKeyRNNZILBZOYYXFG-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.66
Rot. Bonds6

About 1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol

1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol (PubChem CID 123182639) has the molecular formula C15H27F3O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol
PubChem CID123182639
Molecular FormulaC15H27F3O2
Molecular Weight296.37 g/mol
Exact Mass296.20
IUPAC Name1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol
SMILESCCC1(OC(O)C(C(F)(F)F)C(C)(C)CC)CCCC1
InChIInChI=1S/C15H27F3O2/c1-5-13(3,4)11(15(16,17)18)12(19)20-14(6-2)9-7-8-10-14/h11-12,19H,5-10H2,1-4H3
InChIKeyRNNZILBZOYYXFG-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol (CID 123182639) is 1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol is CCC1(OC(O)C(C(F)(F)F)C(C)(C)CC)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol?
The InChIKey is RNNZILBZOYYXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3O2/c1-5-13(3,4)11(15(16,17)18)12(19)20-14(6-2)9-7-8-10-14/h11-12,19H,5-10H2,1-4H3.
What are the key properties of 1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol?
1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol has a molecular weight of 296.37 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)oxy-3,3-dimethyl-2-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 123182639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).